Glycoside
GD117534
Name:
(3A,5B,7A,12A)-24-[(Carboxymethyl)Amino]-1,12-Dihydroxy-24-Oxocholan-3-Yl-B-D-Glucopyranosiduronic AcidFormula:
C32H51O12NSmiles:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CC(O)C12CAglycone:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.75 | Num_heavy_atoms: | 45 |
| TPSA: | 226.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD46870
Formula: C26H43O6N
Smiles:
CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.63 | Num_heavy_atoms: | 33 |
| TPSA: | 130.58 | NumAromaticRings: | 0 |
